Crystal structure and Hirshfeld surface analysis of a bromo-chalcone: (E)-1-(3-bromo-phen-yl)-3-(2,6-di-chloro-phen-yl)prop-2-en-1-one.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 2): 264-267, 2019 Feb 01.
Article
en En
| MEDLINE
| ID: mdl-30800464
ABSTRACT
In the title chalcone derivative, C15H9BrCl2O, the aryl rings are inclined to each by 14.49â
(17)°, and the configuration about the C=C bond is E. There is a short intra-molecular C-Hâ¯Cl contact present resulting in the formation of an S(6) ring motif. In the crystal, the shortest inter-molecular contacts are Clâ¯O contacts [3.173â
(3)â
Å] that link the mol-ecules to form a 21 helix propagating along the b-axis direction. The helices stack up the short crystallographic a axis, and are linked by offset π-π inter-actions [inter-centroid distance = 3.983â
(1)â
Å], forming layers lying parallel to the ab plane. A qu-anti-fication of the inter-molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2019
Tipo del documento:
Article
País de afiliación:
India